SCHEMBL3207084

SCHEMBL3207084

O=C(NCCO)c1cccc(-c2cccc3nn(Cc4cccc(Cl)c4)cc23)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 6/20 0.76
FYN P06241 3/20 0.49
ADORA3 P0DMS8 2/20 0.48
ADORA2B P29275 1/20 0.48
ADORA2A P29274 1/20 0.45
PTGER4 P35408 1/20 0.43
SNCA P37840 1/20 0.42
THRB P10828 2/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1853937 0.96 GPR52 (0.72) GPR52FYNADORA3ADORA2BADORA2A
SCHEMBL3206799 0.92 GPR52 (0.78) GPR52FYNADORA3ADORA2BADORA2A
SCHEMBL3209129 0.89 GPR52 (0.69) GPR52FYNADORA3ADORA2B
SCHEMBL1848382 0.89 GPR52 (0.62) GPR52FYNADORA3ADORA2BADORA2A
SCHEMBL1850562 0.89 GPR52 (0.72) GPR52FYNADORA3ADORA2BADORA2A
SCHEMBL1849152 0.89 GPR52 (0.79) GPR52FYNPTGER4NPC1GAA
SCHEMBL1853932 0.89 GPR52 (0.63) GPR52ADORA3ADORA2BADORA2APTGER4
SCHEMBL3207391 0.88 GPR52 (0.75) GPR52FYNPTGER4
SCHEMBL3217594 0.88 GPR52 (0.75) GPR52FYNADORA3ADORA2BPTGER4
SCHEMBL3207056 0.86 GPR52 (1.00) GPR52PTGER4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GPR52 1/4885FYN 1500/4885ADORA3 591/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.